Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 13/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30666994 | 1.00 | HDAC1 (0.41) | HDAC1HDAC6CXCR4CYP2D6P2RX7 | |
| SCHEMBL30666924 | 1.00 | HDAC1 (0.41) | HDAC1HDAC6CXCR4CYP2D6P2RX7 | |
| SCHEMBL26294579 | 0.89 | OPRL1 (0.37) | HDAC1HDAC6CXCR4CYP2D6P2RX7 | |
| SCHEMBL2083952 | 0.78 | CXCR4 (0.43) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL12891529 | 0.78 | CYP2D6 (0.43) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL23850650 | 0.78 | HDAC1 (0.41) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL5021376 | 0.78 | P2RX7 (0.45) | HDAC1HDAC6CXCR4CYP2D6P2RX7 | |
| SCHEMBL12993082 | 0.78 | HDAC1 (0.41) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL10612034 | 0.78 | HDAC1 (0.41) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL24804097 | 0.78 | HDAC1 (0.41) | HDAC1HDAC6CXCR4CYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023171697-A1 | PRODUCTION METHOD FOR FLUORINE-CONTAINING COMPOUND | ＡＧＣ株式会社 | 2023-09-14 | — | — | WO | disclosed |
| WO-2011025774-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |